Thiocillin I
TL;DR: Thiocillin I (CAS 59979-01-0) is a chemical compound with molecular formula C48H49N13O10S6 and molecular weight 1159.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[26-ethylidene-12,29-bis(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[1-(2-hydroxypropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide
Also Known As: Thiocillin I, G-15-II
| Molecular Formula | C48H49N13O10S6 |
|---|---|
| Molecular Weight | 1159.20 g/mol |
| LogP | 4.6829 |
| Topological Polar Surface Area | 345.75 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 10 |
| Exact Mass | 1159.205 |
| Heavy Atoms | 77 |
| Complexity | 3434.095 |
Chemical Identifiers
| CAS Number | 59979-01-0 |
|---|---|
| SMILES | CC=C1C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)NC(=CC)C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)(C)O |
Product Overview
Thiocillin I (CAS 59979-01-0), with molecular formula C48H49N13O10S6 and molecular weight 1159.20 g/mol. IUPAC: 2-[2-[26-ethylidene-12,29-bis(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[1-(2-hydroxypropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide.
Chemical Property Profile of Thiocillin I
Property Insights of Thiocillin I
The XLogP value of 4.6829 indicates that Thiocillin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 345.75 Ų indicates high polarity, suggesting Thiocillin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocillin I has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocillin I?
The CAS number of Thiocillin I is 59979-01-0.
What is the molecular formula of Thiocillin I?
The molecular formula of Thiocillin I is C48H49N13O10S6.
What is the molecular weight of Thiocillin I?
The molecular weight of Thiocillin I is 1159.20 g/mol.
Where can I buy Thiocillin I?
You can request a quote for Thiocillin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocillin I?
Yes, KEHONG BIO provides custom synthesis services for Thiocillin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.